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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'rozio' and Initial = 'mg'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21279
PNG
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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2.30n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50180022
PNG
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)
Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28|
Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34)
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5.40n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332887
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-N-tert-pentyl-5-(1...)
Show SMILES CCC(C)(C)NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H22Cl2N4O/c1-5-20(3,4)23-18(27)17-13(2)19(25-10-6-7-11-25)26(24-17)16-9-8-14(21)12-15(16)22/h6-12H,5H2,1-4H3,(H,23,27)
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5.70n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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12n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332886
PNG
(CHEMBL1631294 | N-tert-Butyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C
Show InChI InChI=1S/C19H20Cl2N4O/c1-12-16(17(26)22-19(2,3)4)23-25(18(12)24-9-5-6-10-24)15-8-7-13(20)11-14(15)21/h5-11H,1-4H3,(H,22,26)
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14.6n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332891
PNG
(CHEMBL1631297 | N-tert-Butyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C |(5.09,-3.79,;4.63,-5.26,;3.18,-5.74,;3.18,-7.27,;4.65,-7.75,;5.13,-9.21,;5.55,-6.51,;7.08,-6.43,;7.62,-4.99,;6.79,-3.68,;9.14,-5.06,;9.56,-6.53,;8.28,-7.39,;8.28,-8.94,;6.95,-9.71,;6.95,-11.25,;8.28,-12.02,;8.28,-13.56,;9.62,-11.25,;9.61,-9.7,;10.96,-8.92,;9.92,-3.71,;9.16,-2.39,;11.47,-3.71,;12.24,-5.04,;13.78,-5.03,;11.47,-6.37,;13.17,-6.24,)|
Show InChI InChI=1S/C21H24Cl2N4O/c1-12-7-8-13(2)26(12)20-14(3)18(19(28)24-21(4,5)6)25-27(20)17-10-9-15(22)11-16(17)23/h7-11H,1-6H3,(H,24,28)
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20.2n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332893
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NCCC(C)(C)C |(14.88,-7.03,;14.36,-8.48,;12.9,-8.91,;12.84,-10.43,;14.29,-10.96,;14.71,-12.45,;15.24,-9.76,;16.78,-9.82,;17.32,-8.39,;16.49,-7.08,;18.84,-8.46,;19.26,-9.93,;17.98,-10.79,;17.98,-12.33,;16.65,-13.11,;16.65,-14.65,;17.98,-15.42,;17.98,-16.96,;19.32,-14.65,;19.31,-13.1,;20.66,-12.32,;19.67,-7.14,;18.95,-5.79,;21.21,-7.19,;21.93,-8.55,;23.47,-8.6,;24.2,-9.95,;23.39,-11.26,;25.74,-10,;24.74,-11.39,)|
Show InChI InChI=1S/C23H28Cl2N4O/c1-14-7-8-15(2)28(14)22-16(3)20(21(30)26-12-11-23(4,5)6)27-29(22)19-10-9-17(24)13-18(19)25/h7-10,13H,11-12H2,1-6H3,(H,26,30)
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37.5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332888
PNG
(1-(2,4-Dichlorophenyl)-N-(3,3-dimethylbutyl)-4-met...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCCC(C)(C)C
Show InChI InChI=1S/C21H24Cl2N4O/c1-14-18(19(28)24-10-9-21(2,3)4)25-27(20(14)26-11-5-6-12-26)17-8-7-15(22)13-16(17)23/h5-8,11-13H,9-10H2,1-4H3,(H,24,28)
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45.6n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332887
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-N-tert-pentyl-5-(1...)
Show SMILES CCC(C)(C)NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H22Cl2N4O/c1-5-20(3,4)23-18(27)17-13(2)19(25-10-6-7-11-25)26(24-17)16-9-8-14(21)12-15(16)22/h6-12H,5H2,1-4H3,(H,23,27)
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47.6n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332888
PNG
(1-(2,4-Dichlorophenyl)-N-(3,3-dimethylbutyl)-4-met...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCCC(C)(C)C
Show InChI InChI=1S/C21H24Cl2N4O/c1-14-18(19(28)24-10-9-21(2,3)4)25-27(20(14)26-11-5-6-12-26)17-8-7-15(22)13-16(17)23/h5-8,11-13H,9-10H2,1-4H3,(H,24,28)
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52.4n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332874
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-N-pentyl-5-(1H-pyr...)
Show SMILES CCCCCNC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H22Cl2N4O/c1-3-4-5-10-23-19(27)18-14(2)20(25-11-6-7-12-25)26(24-18)17-9-8-15(21)13-16(17)22/h6-9,11-13H,3-5,10H2,1-2H3,(H,23,27)
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81n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332886
PNG
(CHEMBL1631294 | N-tert-Butyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C
Show InChI InChI=1S/C19H20Cl2N4O/c1-12-16(17(26)22-19(2,3)4)23-25(18(12)24-9-5-6-10-24)15-8-7-13(20)11-14(15)21/h5-11H,1-4H3,(H,22,26)
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89.5n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332895
PNG
(1-(2,4-Difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NCCC(C)(C)C |(.88,1.17,;.41,-.3,;-1.04,-.77,;-1.05,-2.3,;.42,-2.78,;.89,-4.25,;1.33,-1.55,;2.86,-1.48,;3.4,-.04,;2.57,1.26,;4.92,-.12,;5.33,-1.59,;4.06,-2.44,;4.06,-3.99,;2.73,-4.76,;2.73,-6.3,;4.06,-7.08,;4.06,-8.62,;5.4,-6.3,;5.39,-4.75,;6.74,-3.97,;5.74,1.21,;5.03,2.55,;7.29,1.15,;8.01,-.2,;9.55,-.25,;10.28,-1.61,;9.46,-2.92,;11.82,-1.67,;10.82,-3.05,)|
Show InChI InChI=1S/C23H28F2N4O/c1-14-7-8-15(2)28(14)22-16(3)20(21(30)26-12-11-23(4,5)6)27-29(22)19-10-9-17(24)13-18(19)25/h7-10,13H,11-12H2,1-6H3,(H,26,30)
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90.7n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332883
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCCCCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(17.09,-5.48,;16.32,-4.15,;14.78,-4.15,;14,-2.82,;12.46,-2.82,;11.69,-1.49,;10.15,-1.5,;9.37,-.17,;7.83,-.17,;7.06,1.15,;7.05,-1.53,;7.47,-3,;6.19,-3.85,;4.99,-2.89,;5.53,-1.45,;4.7,-.15,;3.56,-3.44,;2.3,-2.54,;2.25,-.99,;1.08,-3.45,;1.55,-4.9,;3.09,-4.9,;3.61,-5.69,;6.19,-5.4,;4.86,-6.17,;4.86,-7.71,;6.19,-8.48,;6.19,-10.02,;7.53,-7.71,;7.53,-6.16,;8.87,-5.38,)|
Show InChI InChI=1S/C24H30Cl2N4O/c1-5-6-7-8-9-14-27-23(31)22-18(4)24(29-16(2)10-11-17(29)3)30(28-22)21-13-12-19(25)15-20(21)26/h10-13,15H,5-9,14H2,1-4H3,(H,27,31)
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97.2n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332894
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCCCCCC(C)NC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(29.45,-13.96,;28.68,-12.63,;27.14,-12.64,;26.36,-11.31,;24.82,-11.32,;24.04,-9.99,;22.5,-9.99,;21.74,-11.33,;21.73,-8.67,;20.18,-8.67,;19.42,-7.35,;19.41,-10.03,;19.82,-11.5,;18.55,-12.35,;17.35,-11.39,;17.89,-9.95,;17.06,-8.65,;15.82,-11.31,;14.89,-10.07,;15.34,-8.6,;13.44,-10.56,;13.45,-12.09,;14.92,-12.56,;15.41,-14.02,;18.55,-13.9,;17.22,-14.67,;17.22,-16.21,;18.55,-16.98,;18.55,-18.52,;19.89,-16.21,;19.88,-14.66,;21.23,-13.88,)|
Show InChI InChI=1S/C25H32Cl2N4O/c1-6-7-8-9-10-16(2)28-24(32)23-19(5)25(30-17(3)11-12-18(30)4)31(29-23)22-14-13-20(26)15-21(22)27/h11-16H,6-10H2,1-5H3,(H,28,32)
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105n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21279
PNG
(1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N...)
Show SMILES Cc1c(nn(c1-c1ccc(I)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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112n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332892
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCC(C)(C)NC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(13.97,-1.89,;13.2,-3.22,;11.66,-3.23,;10.32,-3.98,;11.65,-4.76,;10.89,-1.9,;9.34,-1.9,;8.58,-.58,;8.56,-3.25,;8.98,-4.72,;7.71,-5.58,;6.51,-4.61,;7.05,-3.18,;6.22,-1.87,;4.97,-4.7,;4.05,-3.45,;4.51,-1.98,;2.61,-3.93,;2.6,-5.46,;4.08,-5.93,;4.55,-7.4,;7.7,-7.12,;6.38,-7.89,;6.37,-9.44,;7.71,-10.21,;7.71,-11.75,;9.04,-9.44,;9.04,-7.89,;10.39,-7.1,)|
Show InChI InChI=1S/C22H26Cl2N4O/c1-7-22(5,6)25-20(29)19-15(4)21(27-13(2)8-9-14(27)3)28(26-19)18-11-10-16(23)12-17(18)24/h8-12H,7H2,1-6H3,(H,25,29)
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122n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332879
PNG
(CHEMBL1631167 | N-Butyl-1-(2,4-dichlorophenyl)-5-(...)
Show SMILES CCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(19.07,-3.28,;17.53,-3.31,;16.73,-1.97,;15.21,-1.99,;14.42,-.67,;12.88,-.7,;12.09,.63,;12.13,-2.03,;12.62,-3.47,;11.39,-4.39,;10.13,-3.5,;10.6,-2.04,;9.69,-.79,;8.67,-3.99,;8.21,-5.44,;9.11,-6.69,;6.66,-5.45,;6.18,-4,;7.4,-3.09,;7.39,-1.55,;11.41,-5.94,;10.08,-6.73,;10.1,-8.26,;11.44,-9.03,;11.45,-10.57,;12.77,-8.24,;12.75,-6.69,;14.07,-5.91,)|
Show InChI InChI=1S/C21H24Cl2N4O/c1-5-6-11-24-20(28)19-15(4)21(26-13(2)7-8-14(26)3)27(25-19)18-10-9-16(22)12-17(18)23/h7-10,12H,5-6,11H2,1-4H3,(H,24,28)
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123n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332876
PNG
(1-(2,4-Dichlorophenyl)-N-hexyl-4-methyl-5-(1H-pyrr...)
Show SMILES CCCCCCNC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H24Cl2N4O/c1-3-4-5-6-11-24-20(28)19-15(2)21(26-12-7-8-13-26)27(25-19)18-10-9-16(22)14-17(18)23/h7-10,12-14H,3-6,11H2,1-2H3,(H,24,28)
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124n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332893
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NCCC(C)(C)C |(14.88,-7.03,;14.36,-8.48,;12.9,-8.91,;12.84,-10.43,;14.29,-10.96,;14.71,-12.45,;15.24,-9.76,;16.78,-9.82,;17.32,-8.39,;16.49,-7.08,;18.84,-8.46,;19.26,-9.93,;17.98,-10.79,;17.98,-12.33,;16.65,-13.11,;16.65,-14.65,;17.98,-15.42,;17.98,-16.96,;19.32,-14.65,;19.31,-13.1,;20.66,-12.32,;19.67,-7.14,;18.95,-5.79,;21.21,-7.19,;21.93,-8.55,;23.47,-8.6,;24.2,-9.95,;23.39,-11.26,;25.74,-10,;24.74,-11.39,)|
Show InChI InChI=1S/C23H28Cl2N4O/c1-14-7-8-15(2)28(14)22-16(3)20(21(30)26-12-11-23(4,5)6)27-29(22)19-10-9-17(24)13-18(19)25/h7-10,13H,11-12H2,1-6H3,(H,26,30)
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134n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332894
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCCCCCC(C)NC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(29.45,-13.96,;28.68,-12.63,;27.14,-12.64,;26.36,-11.31,;24.82,-11.32,;24.04,-9.99,;22.5,-9.99,;21.74,-11.33,;21.73,-8.67,;20.18,-8.67,;19.42,-7.35,;19.41,-10.03,;19.82,-11.5,;18.55,-12.35,;17.35,-11.39,;17.89,-9.95,;17.06,-8.65,;15.82,-11.31,;14.89,-10.07,;15.34,-8.6,;13.44,-10.56,;13.45,-12.09,;14.92,-12.56,;15.41,-14.02,;18.55,-13.9,;17.22,-14.67,;17.22,-16.21,;18.55,-16.98,;18.55,-18.52,;19.89,-16.21,;19.88,-14.66,;21.23,-13.88,)|
Show InChI InChI=1S/C25H32Cl2N4O/c1-6-7-8-9-10-16(2)28-24(32)23-19(5)25(30-17(3)11-12-18(30)4)31(29-23)22-14-13-20(26)15-21(22)27/h11-16H,6-10H2,1-5H3,(H,28,32)
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136n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332891
PNG
(CHEMBL1631297 | N-tert-Butyl-1-(2,4-dichlorophenyl...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NC(C)(C)C |(5.09,-3.79,;4.63,-5.26,;3.18,-5.74,;3.18,-7.27,;4.65,-7.75,;5.13,-9.21,;5.55,-6.51,;7.08,-6.43,;7.62,-4.99,;6.79,-3.68,;9.14,-5.06,;9.56,-6.53,;8.28,-7.39,;8.28,-8.94,;6.95,-9.71,;6.95,-11.25,;8.28,-12.02,;8.28,-13.56,;9.62,-11.25,;9.61,-9.7,;10.96,-8.92,;9.92,-3.71,;9.16,-2.39,;11.47,-3.71,;12.24,-5.04,;13.78,-5.03,;11.47,-6.37,;13.17,-6.24,)|
Show InChI InChI=1S/C21H24Cl2N4O/c1-12-7-8-13(2)26(12)20-14(3)18(19(28)24-21(4,5)6)25-27(20)17-10-9-15(22)11-16(17)23/h7-11H,1-6H3,(H,24,28)
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151n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332889
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-N-(octan-2-yl)-5-(...)
Show SMILES CCCCCCC(C)NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H28Cl2N4O/c1-4-5-6-7-10-16(2)26-22(30)21-17(3)23(28-13-8-9-14-28)29(27-21)20-12-11-18(24)15-19(20)25/h8-9,11-16H,4-7,10H2,1-3H3,(H,26,30)
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158n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332895
PNG
(1-(2,4-Difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(F)cc1F)C(=O)NCCC(C)(C)C |(.88,1.17,;.41,-.3,;-1.04,-.77,;-1.05,-2.3,;.42,-2.78,;.89,-4.25,;1.33,-1.55,;2.86,-1.48,;3.4,-.04,;2.57,1.26,;4.92,-.12,;5.33,-1.59,;4.06,-2.44,;4.06,-3.99,;2.73,-4.76,;2.73,-6.3,;4.06,-7.08,;4.06,-8.62,;5.4,-6.3,;5.39,-4.75,;6.74,-3.97,;5.74,1.21,;5.03,2.55,;7.29,1.15,;8.01,-.2,;9.55,-.25,;10.28,-1.61,;9.46,-2.92,;11.82,-1.67,;10.82,-3.05,)|
Show InChI InChI=1S/C23H28F2N4O/c1-14-7-8-15(2)28(14)22-16(3)20(21(30)26-12-11-23(4,5)6)27-29(22)19-10-9-17(24)13-18(19)25/h7-10,13H,11-12H2,1-6H3,(H,26,30)
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163n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332880
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(21.54,-1.2,;20.8,.15,;19.27,.19,;18.54,1.55,;16.99,1.58,;16.26,2.92,;14.72,2.97,;13.99,4.3,;13.82,1.72,;14.3,.28,;13.07,-.64,;11.81,.25,;12.28,1.72,;11.37,2.97,;10.35,-.23,;9.89,-1.69,;10.68,-2.81,;8.34,-1.7,;7.86,-.24,;9.08,.67,;9.07,2.21,;13.09,-2.18,;11.76,-2.97,;11.78,-4.51,;13.12,-5.27,;13.13,-6.81,;14.45,-4.49,;14.43,-2.94,;15.76,-2.15,)|
Show InChI InChI=1S/C22H26Cl2N4O/c1-5-6-7-12-25-21(29)20-16(4)22(27-14(2)8-9-15(27)3)28(26-20)19-11-10-17(23)13-18(19)24/h8-11,13H,5-7,12H2,1-4H3,(H,25,29)
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182n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332892
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCC(C)(C)NC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(13.97,-1.89,;13.2,-3.22,;11.66,-3.23,;10.32,-3.98,;11.65,-4.76,;10.89,-1.9,;9.34,-1.9,;8.58,-.58,;8.56,-3.25,;8.98,-4.72,;7.71,-5.58,;6.51,-4.61,;7.05,-3.18,;6.22,-1.87,;4.97,-4.7,;4.05,-3.45,;4.51,-1.98,;2.61,-3.93,;2.6,-5.46,;4.08,-5.93,;4.55,-7.4,;7.7,-7.12,;6.38,-7.89,;6.37,-9.44,;7.71,-10.21,;7.71,-11.75,;9.04,-9.44,;9.04,-7.89,;10.39,-7.1,)|
Show InChI InChI=1S/C22H26Cl2N4O/c1-7-22(5,6)25-20(29)19-15(4)21(27-13(2)8-9-14(27)3)28(26-19)18-11-10-16(23)12-17(18)24/h8-12H,7H2,1-6H3,(H,25,29)
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194n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332883
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCCCCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(17.09,-5.48,;16.32,-4.15,;14.78,-4.15,;14,-2.82,;12.46,-2.82,;11.69,-1.49,;10.15,-1.5,;9.37,-.17,;7.83,-.17,;7.06,1.15,;7.05,-1.53,;7.47,-3,;6.19,-3.85,;4.99,-2.89,;5.53,-1.45,;4.7,-.15,;3.56,-3.44,;2.3,-2.54,;2.25,-.99,;1.08,-3.45,;1.55,-4.9,;3.09,-4.9,;3.61,-5.69,;6.19,-5.4,;4.86,-6.17,;4.86,-7.71,;6.19,-8.48,;6.19,-10.02,;7.53,-7.71,;7.53,-6.16,;8.87,-5.38,)|
Show InChI InChI=1S/C24H30Cl2N4O/c1-5-6-7-8-9-14-27-23(31)22-18(4)24(29-16(2)10-11-17(29)3)30(28-22)21-13-12-19(25)15-20(21)26/h10-13,15H,5-9,14H2,1-4H3,(H,27,31)
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205n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332874
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-N-pentyl-5-(1H-pyr...)
Show SMILES CCCCCNC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C20H22Cl2N4O/c1-3-4-5-10-23-19(27)18-14(2)20(25-11-6-7-12-25)26(24-18)17-9-8-15(21)13-16(17)22/h6-9,11-13H,3-5,10H2,1-2H3,(H,23,27)
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206n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332877
PNG
(1-(2,4-Dichlorophenyl)-N-heptyl-4-methyl-5-(1H-pyr...)
Show SMILES CCCCCCCNC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H26Cl2N4O/c1-3-4-5-6-7-12-25-21(29)20-16(2)22(27-13-8-9-14-27)28(26-20)19-11-10-17(23)15-18(19)24/h8-11,13-15H,3-7,12H2,1-2H3,(H,25,29)
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211n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332890
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CC(C)NC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(13.51,-5.25,;11.97,-5.24,;11.2,-6.57,;11.21,-3.91,;9.66,-3.9,;8.91,-2.58,;8.88,-5.25,;9.29,-6.72,;8.02,-7.57,;6.82,-6.61,;7.36,-5.18,;6.53,-3.87,;5.28,-6.53,;4.5,-5.2,;5.11,-3.78,;3.01,-5.53,;2.85,-7.04,;4.26,-7.67,;4.58,-9.18,;8.02,-9.12,;6.69,-9.89,;6.68,-11.44,;8.02,-12.21,;8.02,-13.75,;9.36,-11.44,;9.35,-9.89,;10.7,-9.1,)|
Show InChI InChI=1S/C20H22Cl2N4O/c1-11(2)23-19(27)18-14(5)20(25-12(3)6-7-13(25)4)26(24-18)17-9-8-15(21)10-16(17)22/h6-11H,1-5H3,(H,23,27)
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234n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332889
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-N-(octan-2-yl)-5-(...)
Show SMILES CCCCCCC(C)NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C23H28Cl2N4O/c1-4-5-6-7-10-16(2)26-22(30)21-17(3)23(28-13-8-9-14-28)29(27-21)20-12-11-18(24)15-19(20)25/h8-9,11-16H,4-7,10H2,1-3H3,(H,26,30)
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237n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332877
PNG
(1-(2,4-Dichlorophenyl)-N-heptyl-4-methyl-5-(1H-pyr...)
Show SMILES CCCCCCCNC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C22H26Cl2N4O/c1-3-4-5-6-7-12-25-21(29)20-16(2)22(27-13-8-9-14-27)28(26-20)19-11-10-17(23)15-18(19)24/h8-11,13-15H,3-7,12H2,1-2H3,(H,25,29)
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255n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332873
PNG
(CHEMBL1631161 | N-Butyl-1-(2,4-dichlorophenyl)-4-m...)
Show SMILES CCCCNC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H20Cl2N4O/c1-3-4-9-22-18(26)17-13(2)19(24-10-5-6-11-24)25(23-17)16-8-7-14(20)12-15(16)21/h5-8,10-12H,3-4,9H2,1-2H3,(H,22,26)
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273n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332878
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(20.22,-4.85,;19.42,-3.51,;17.9,-3.54,;17.11,-2.21,;15.57,-2.24,;14.78,-.92,;14.83,-3.58,;15.31,-5.02,;14.08,-5.94,;12.83,-5.05,;13.29,-3.58,;12.38,-2.34,;11.37,-5.54,;10.9,-6.99,;11.8,-8.23,;9.35,-7,;8.87,-5.54,;10.09,-4.63,;10.08,-3.09,;14.1,-7.48,;12.77,-8.27,;12.79,-9.81,;14.13,-10.57,;14.14,-12.11,;15.46,-9.79,;15.44,-8.24,;16.77,-7.45,)|
Show InChI InChI=1S/C20H22Cl2N4O/c1-5-10-23-19(27)18-14(4)20(25-12(2)6-7-13(25)3)26(24-18)17-9-8-15(21)11-16(17)22/h6-9,11H,5,10H2,1-4H3,(H,23,27)
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290n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332882
PNG
(1-(2,4-Difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCCCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(F)cc1F |(11.99,-5.89,;10.45,-5.88,;9.69,-4.55,;8.15,-4.54,;7.38,-3.2,;5.84,-3.2,;5.08,-1.87,;3.53,-1.86,;2.77,-.54,;2.74,-3.21,;3.16,-4.68,;1.89,-5.53,;.68,-4.57,;1.23,-3.14,;.39,-1.83,;-.75,-5.12,;-2.01,-4.21,;-2.05,-2.66,;-3.23,-5.12,;-2.77,-6.57,;-1.22,-6.57,;-.53,-7.48,;1.88,-7.08,;.55,-7.85,;.55,-9.4,;1.89,-10.17,;1.89,-11.71,;3.22,-9.4,;3.22,-7.85,;4.56,-7.06,)|
Show InChI InChI=1S/C23H28F2N4O/c1-5-6-7-8-13-26-22(30)21-17(4)23(28-15(2)9-10-16(28)3)29(27-21)20-12-11-18(24)14-19(20)25/h9-12,14H,5-8,13H2,1-4H3,(H,26,30)
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311n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332884
PNG
(1-(2,4-Difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCCCCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(F)cc1F |(21.32,-18.34,;20.51,-17.03,;18.97,-17.07,;18.17,-15.76,;16.63,-15.8,;15.82,-14.49,;14.28,-14.53,;13.47,-13.23,;11.93,-13.27,;11.13,-11.97,;11.18,-14.64,;11.6,-16.11,;10.33,-16.97,;9.13,-16,;9.67,-14.57,;8.84,-13.26,;7.71,-16.6,;6.42,-15.73,;6.33,-14.19,;5.23,-16.68,;5.74,-18.11,;7.28,-18.07,;7.9,-18.95,;10.32,-18.51,;8.99,-19.28,;8.99,-20.83,;10.33,-21.6,;10.33,-23.14,;11.66,-20.83,;11.66,-19.28,;13,-18.49,)|
Show InChI InChI=1S/C24H30F2N4O/c1-5-6-7-8-9-14-27-23(31)22-18(4)24(29-16(2)10-11-17(29)3)30(28-22)21-13-12-19(25)15-20(21)26/h10-13,15H,5-9,14H2,1-4H3,(H,27,31)
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366n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332884
PNG
(1-(2,4-Difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCCCCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(F)cc1F |(21.32,-18.34,;20.51,-17.03,;18.97,-17.07,;18.17,-15.76,;16.63,-15.8,;15.82,-14.49,;14.28,-14.53,;13.47,-13.23,;11.93,-13.27,;11.13,-11.97,;11.18,-14.64,;11.6,-16.11,;10.33,-16.97,;9.13,-16,;9.67,-14.57,;8.84,-13.26,;7.71,-16.6,;6.42,-15.73,;6.33,-14.19,;5.23,-16.68,;5.74,-18.11,;7.28,-18.07,;7.9,-18.95,;10.32,-18.51,;8.99,-19.28,;8.99,-20.83,;10.33,-21.6,;10.33,-23.14,;11.66,-20.83,;11.66,-19.28,;13,-18.49,)|
Show InChI InChI=1S/C24H30F2N4O/c1-5-6-7-8-9-14-27-23(31)22-18(4)24(29-16(2)10-11-17(29)3)30(28-22)21-13-12-19(25)15-20(21)26/h10-13,15H,5-9,14H2,1-4H3,(H,27,31)
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368n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332881
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES Cc1ccc(C)n1-c1c(C)c(nn1-c1ccc(Cl)cc1Cl)C(=O)NCCCCCO |(-3.67,-7.38,;-3.57,-8.93,;-4.76,-9.88,;-4.24,-11.31,;-2.7,-11.26,;-2.08,-12.19,;-2.28,-9.79,;-.87,-9.18,;-.32,-7.75,;-1.15,-6.44,;1.19,-7.82,;1.61,-9.29,;.34,-10.15,;.33,-11.7,;-1,-12.47,;-1,-14.01,;.34,-14.78,;.34,-16.32,;1.67,-14.01,;1.67,-12.46,;3.01,-11.68,;1.94,-6.45,;1.15,-5.15,;3.49,-6.42,;4.29,-7.73,;5.83,-7.68,;6.63,-9,;8.17,-8.96,;8.98,-10.28,;10.52,-10.24,)|
Show InChI InChI=1S/C22H26Cl2N4O2/c1-14-7-8-15(2)27(14)22-16(3)20(21(30)25-11-5-4-6-12-29)26-28(22)19-10-9-17(23)13-18(19)24/h7-10,13,29H,4-6,11-12H2,1-3H3,(H,25,30)
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372n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332876
PNG
(1-(2,4-Dichlorophenyl)-N-hexyl-4-methyl-5-(1H-pyrr...)
Show SMILES CCCCCCNC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C21H24Cl2N4O/c1-3-4-5-6-11-24-20(28)19-15(2)21(26-12-7-8-13-26)27(25-19)18-10-9-16(22)14-17(18)23/h7-10,12-14H,3-6,11H2,1-2H3,(H,24,28)
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383n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332879
PNG
(CHEMBL1631167 | N-Butyl-1-(2,4-dichlorophenyl)-5-(...)
Show SMILES CCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(19.07,-3.28,;17.53,-3.31,;16.73,-1.97,;15.21,-1.99,;14.42,-.67,;12.88,-.7,;12.09,.63,;12.13,-2.03,;12.62,-3.47,;11.39,-4.39,;10.13,-3.5,;10.6,-2.04,;9.69,-.79,;8.67,-3.99,;8.21,-5.44,;9.11,-6.69,;6.66,-5.45,;6.18,-4,;7.4,-3.09,;7.39,-1.55,;11.41,-5.94,;10.08,-6.73,;10.1,-8.26,;11.44,-9.03,;11.45,-10.57,;12.77,-8.24,;12.75,-6.69,;14.07,-5.91,)|
Show InChI InChI=1S/C21H24Cl2N4O/c1-5-6-11-24-20(28)19-15(4)21(26-13(2)7-8-14(26)3)27(25-19)18-10-9-16(22)12-17(18)23/h7-10,12H,5-6,11H2,1-4H3,(H,24,28)
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460n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332882
PNG
(1-(2,4-Difluorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCCCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(F)cc1F |(11.99,-5.89,;10.45,-5.88,;9.69,-4.55,;8.15,-4.54,;7.38,-3.2,;5.84,-3.2,;5.08,-1.87,;3.53,-1.86,;2.77,-.54,;2.74,-3.21,;3.16,-4.68,;1.89,-5.53,;.68,-4.57,;1.23,-3.14,;.39,-1.83,;-.75,-5.12,;-2.01,-4.21,;-2.05,-2.66,;-3.23,-5.12,;-2.77,-6.57,;-1.22,-6.57,;-.53,-7.48,;1.88,-7.08,;.55,-7.85,;.55,-9.4,;1.89,-10.17,;1.89,-11.71,;3.22,-9.4,;3.22,-7.85,;4.56,-7.06,)|
Show InChI InChI=1S/C23H28F2N4O/c1-5-6-7-8-13-26-22(30)21-17(4)23(28-15(2)9-10-16(28)3)29(27-21)20-12-11-18(24)14-19(20)25/h9-12,14H,5-8,13H2,1-4H3,(H,26,30)
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487n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332880
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CCCCCNC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(21.54,-1.2,;20.8,.15,;19.27,.19,;18.54,1.55,;16.99,1.58,;16.26,2.92,;14.72,2.97,;13.99,4.3,;13.82,1.72,;14.3,.28,;13.07,-.64,;11.81,.25,;12.28,1.72,;11.37,2.97,;10.35,-.23,;9.89,-1.69,;10.68,-2.81,;8.34,-1.7,;7.86,-.24,;9.08,.67,;9.07,2.21,;13.09,-2.18,;11.76,-2.97,;11.78,-4.51,;13.12,-5.27,;13.13,-6.81,;14.45,-4.49,;14.43,-2.94,;15.76,-2.15,)|
Show InChI InChI=1S/C22H26Cl2N4O/c1-5-6-7-12-25-21(29)20-16(4)22(27-14(2)8-9-15(27)3)28(26-20)19-11-10-17(23)13-18(19)24/h8-11,13H,5-7,12H2,1-4H3,(H,25,29)
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495n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332885
PNG
(1-(2,4-Dichlorophenyl)-N-isopropyl-4-methyl-5-(1H-...)
Show SMILES CC(C)NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H18Cl2N4O/c1-11(2)21-17(25)16-12(3)18(23-8-4-5-9-23)24(22-16)15-7-6-13(19)10-14(15)20/h4-11H,1-3H3,(H,21,25)
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519n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332875
PNG
(1-(2,4-Dichlorophenyl)-N-(5-hydroxypentyl)-4-methy...)
Show SMILES Cc1c(nn(c1-n1cccc1)-c1ccc(Cl)cc1Cl)C(=O)NCCCCCO
Show InChI InChI=1S/C20H22Cl2N4O2/c1-14-18(19(28)23-9-3-2-6-12-27)24-26(20(14)25-10-4-5-11-25)17-8-7-15(21)13-16(17)22/h4-5,7-8,10-11,13,27H,2-3,6,9,12H2,1H3,(H,23,28)
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534n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50332872
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-N-propyl-5-(1H-pyr...)
Show SMILES CCCNC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H18Cl2N4O/c1-3-8-21-17(25)16-12(2)18(23-9-4-5-10-23)24(22-16)15-7-6-13(19)11-14(15)20/h4-7,9-11H,3,8H2,1-2H3,(H,21,25)
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550n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM21278
PNG
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)
Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1
Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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790n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332873
PNG
(CHEMBL1631161 | N-Butyl-1-(2,4-dichlorophenyl)-4-m...)
Show SMILES CCCCNC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C19H20Cl2N4O/c1-3-4-9-22-18(26)17-13(2)19(24-10-5-6-11-24)25(23-17)16-8-7-14(20)12-15(16)21/h5-8,10-12H,3-4,9H2,1-2H3,(H,22,26)
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796n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332885
PNG
(1-(2,4-Dichlorophenyl)-N-isopropyl-4-methyl-5-(1H-...)
Show SMILES CC(C)NC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H18Cl2N4O/c1-11(2)21-17(25)16-12(3)18(23-8-4-5-9-23)24(22-16)15-7-6-13(19)10-14(15)20/h4-11H,1-3H3,(H,21,25)
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1.13E+3n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332872
PNG
(1-(2,4-Dichlorophenyl)-4-methyl-N-propyl-5-(1H-pyr...)
Show SMILES CCCNC(=O)c1nn(c(c1C)-n1cccc1)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C18H18Cl2N4O/c1-3-8-21-17(25)16-12(2)18(23-9-4-5-10-23)24(22-16)15-7-6-13(19)11-14(15)20/h4-7,9-11H,3,8H2,1-2H3,(H,21,25)
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1.50E+3n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50332890
PNG
(1-(2,4-Dichlorophenyl)-5-(2,5-dimethyl-1H-pyrrol-1...)
Show SMILES CC(C)NC(=O)c1nn(c(c1C)-n1c(C)ccc1C)-c1ccc(Cl)cc1Cl |(13.51,-5.25,;11.97,-5.24,;11.2,-6.57,;11.21,-3.91,;9.66,-3.9,;8.91,-2.58,;8.88,-5.25,;9.29,-6.72,;8.02,-7.57,;6.82,-6.61,;7.36,-5.18,;6.53,-3.87,;5.28,-6.53,;4.5,-5.2,;5.11,-3.78,;3.01,-5.53,;2.85,-7.04,;4.26,-7.67,;4.58,-9.18,;8.02,-9.12,;6.69,-9.89,;6.68,-11.44,;8.02,-12.21,;8.02,-13.75,;9.36,-11.44,;9.35,-9.89,;10.7,-9.1,)|
Show InChI InChI=1S/C20H22Cl2N4O/c1-11(2)23-19(27)18-14(5)20(25-12(3)6-7-13(25)4)26(24-18)17-9-8-15(21)10-16(17)22/h6-11H,1-5H3,(H,23,27)
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1.80E+3n/an/an/an/an/an/an/an/a



Sapienza Universit£ di Roma

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells


Eur J Med Chem 45: 5878-86 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.053
BindingDB Entry DOI: 10.7270/Q22Z15T3
More data for this
Ligand-Target Pair
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